Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:12:14 UTC
Update Date2025-03-24 21:31:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01806594
Frequency0.7
Structure
Chemical FormulaC8H13N
Molecular Mass123.1048
SMILESC1=CC2CCN(C1)CC2
InChI KeyIUGBUKMNQXUDQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • trialkylamines
  • Substituents
  • azacycle
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine